2,6-Di-tert-butylnaphthalene

Base Information

• Chemical Name: 2,6-Di-tert-butylnaphthalene
• CAS No.: 3905-64-4
• Molecular Formula: C18H24
• Molecular Weight: 240.389
• Hs Code.: 2902909090
• European Community (EC) Number: 223-461-1
• NSC Number: 91463
• DSSTox Substance ID: DTXSID20192299
• Nikkaji Number: J27.818A
• Wikidata: Q72470056
• Mol file: 3905-64-4.mol

Synonyms:2,6-Di-tert-butylnaphthalene;3905-64-4;2,6-ditert-butylnaphthalene;Naphthalene, 2,6-bis(1,1-dimethylethyl)-;Naphthalene, 2,6-di-tert-butyl-;EINECS 223-461-1;NSC91463;NCIOpen2_005554;2,6-di-t-butyl-naphthalene;Naphthalene,6-di-tert-butyl-;DTXSID20192299;MFCD00004110;NSC 91463;NSC-91463;AKOS015907938;Naphthalene,6-bis(1,1-dimethylethyl)-;CS-0205107;D2369;FT-0635055;D90053;AQ-344/43099997;W-106459

Chemical Property of 2,6-Di-tert-butylnaphthalene

Chemical Property:

• Vapor Pressure: 0.000238mmHg at 25°C
• Melting Point: 148 °C
• Refractive Index: 1.542
• Boiling Point: 335.1 °C at 760 mmHg
• Flash Point: 165.2 °C
• PSA: 0.00000
• Density: 0.936 g/cm³
• LogP: 5.43480
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 240.187800766
• Heavy Atom Count: 18
• Complexity: 245

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Di-tert-butylnaphthalene ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)(C)C

Technology Process of 2,6-Di-tert-butylnaphthalene

There total 25 articles about 2,6-Di-tert-butylnaphthalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 36.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) + tertiary butyl chloride (507-20-0) → 2,7-di-tert-butylnaphthalene (10275-58-8) + 2,6-di-tert-butylnaphthalene (3905-64-4)

Guidance literature:

With aluminium trichloride; a) heating, 3 h, b) r.t., 8 h;

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) + tert-butyl alcohol (75-65-0) → 2,7-di-tert-butylnaphthalene (10275-58-8) + 2,6-di-tert-butylnaphthalene (3905-64-4)

Guidance literature:

With ammonium tungstate; zirconium nitrate pentahydrate; In water; 1,3,5-trimethyl-benzene; at 180 ℃; for 6h; under 0 Torr; Reagent/catalyst; Temperature; Pressure; Solvent; Molecular sieve;

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) + tertiary butyl chloride (507-20-0) → 2,6-di-tert-butylnaphthalene (3905-64-4)

Guidance literature:

With aluminium trichloride; in der Waerme;

DOI:10.1021/ja01633a052 DOI:10.1021/ja01301a003 DOI:10.1002/1521-4052(200006)31:6<440::AID-MAWE440>3.0.CO;2-7 DOI:10.1021/ja01352a506

upstream raw materials:

naphthalene

tertiary butyl chloride

2-methyl-propan-1-ol

tert-butyl alcohol

Downstream raw materials:

C₃₂H₃₄

3,7-Di-tert.-butyl-1,5-naphthochinon

4-(tert-butyl)phthalic acid

4-tert-butylphthalic anhydride

Refernces

• 1、 -. "Method for high-selectivity preparation of 2, 6-di-tert-butylnaphthalene through naphthalene alkylation". Paragraph 0059; 0060; 0061. . Retrieved 2021/08/11.
• 2、 Smith, Keith,Al-Khalaf, Alaa K. H.,El-Hiti, Gamal A.,Pattisson, Samuel. "Highly regioselective di-tert-amylation of naphthalene over reusable H-mordenite zeolite". experimental part. p. 1103 - 1110. Retrieved 2012/06/18.